3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride

C6HF11O3 — CID 11659940

IUPAC3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
SMILESO=C(F)C(O)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3/c7-1(18)2(19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h19H
InChIKeyRFILVFJNQPRXPH-UHFFFAOYSA-N
MW330.05 g/mol
LogP2.54
Rot. Bonds4

About 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride

3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride (PubChem CID 11659940) has the molecular formula C6HF11O3 and a molecular weight of 330.05 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
PubChem CID11659940
Molecular FormulaC6HF11O3
Molecular Weight330.05 g/mol
Exact Mass329.98
IUPAC Name3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride
SMILESO=C(F)C(O)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF11O3/c7-1(18)2(19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h19H
InChIKeyRFILVFJNQPRXPH-UHFFFAOYSA-N
XLogP2.54
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.05
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride?
The IUPAC name of 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride (CID 11659940) is 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride.
What is the SMILES notation for 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride?
The canonical SMILES for 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride is O=C(F)C(O)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride?
The InChIKey is RFILVFJNQPRXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF11O3/c7-1(18)2(19,4(10,11)12)20-6(16,17)3(8,9)5(13,14)15/h19H.
What are the key properties of 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride?
3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride has a molecular weight of 330.05 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-hydroxypropanoyl fluoride is sourced from PubChem (CID 11659940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).